3,9-Dimethyl-7-nitro-2,3-dihydro-benzo[de]chromen-3-ol | 873426-38-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 3,9-Dimethyl-7-nitro-2,3-dihydro-benzo[de]chromen-3-ol
• 英文别名: 4,12-Dimethyl-10-nitro-2-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-4-ol
• CAS: 873426-38-1
• 化学式: C₁₄H₁₃NO₄
• 分子量: 259.262
• InChiKey: QDCWLKQSQBKMGK-UHFFFAOYSA-N

物化性质

• 沸点：
  473.1±45.0 °C(Predicted)
• 密度：
  1.384±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  19
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  75.3
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3,9-Dimethyl-7-nitro-2,3-dihydro-benzo[de]chromen-3-ol 在 palladium on activated charcoal 氢气 作用下， 以 甲醇 为溶剂， 生成 7-Amino-3,9-dimethyl-2,3-dihydro-benzo[de]chromen-3-ol
  参考文献：
  名称：

  The structure–activity relationships of mansonone F, a potent anti-MRSA sesquiterpenoid quinone: SAR studies on the C6 and C9 analogs

  摘要：

  For the systematic SAR study on mansonone F, a series of C6 and C9 analogs of mansonone F have been synthesized and their anti-MRSA activities were evaluated. Most of the analogs exhibited good or excellent anti-MRSA activities. In particular, the 6-n-butylmansonone F showed fourfold higher antibacterial activities compared to that of vancomycin. (c) 2005 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2005.09.024
• 作为产物：
  描述：

  9-Methyl-benzo[de]chromen-3-one 在 乙酸酐 、 copper(II) nitrate 作用下， 以 乙醚 为溶剂， 生成 3,9-Dimethyl-7-nitro-2,3-dihydro-benzo[de]chromen-3-ol
  参考文献：
  名称：

  The structure–activity relationships of mansonone F, a potent anti-MRSA sesquiterpenoid quinone: SAR studies on the C6 and C9 analogs

  摘要：

  For the systematic SAR study on mansonone F, a series of C6 and C9 analogs of mansonone F have been synthesized and their anti-MRSA activities were evaluated. Most of the analogs exhibited good or excellent anti-MRSA activities. In particular, the 6-n-butylmansonone F showed fourfold higher antibacterial activities compared to that of vancomycin. (c) 2005 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2005.09.024